4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C130H170BBr2N19O16 — CID 159694976

About 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 159694976) has the molecular formula C130H170BBr2N19O16 and a molecular weight of 2425.53 g/mol. Its IUPAC name is 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

• Compound Name: 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
• PubChem CID: 159694976
• Molecular Formula: C130H170BBr2N19O16
• Molecular Weight: 2425.53 g/mol
• Exact Mass: 2422.15
• IUPAC Name: 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.C[C@H]1CCc2c(ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2O)N1C(=O)C1CC1.C[C@H]1CCc2c(ccc(Br)c2O)N1C(=O)C1CC1.Cc1cc(Br)cc(C)n1.Cc1cc(Oc2c(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc3c2CC[C@H](C)N3C(=O)C2CC2)cc(C)n1.Cc1cc(Oc2c(-c3cnn(C4CCNCC4)c3)ccc3c2CC[C@H](C)N3C(=O)C2CC2)cc(C)n1
• InChI: InChI=1S/C34H43N5O4.C29H35N5O2.C27H36N4O4.C19H32BN3O4.C14H16BrNO2.C7H8BrN/c1-21-17-27(18-22(2)36-21)42-31-28(11-12-30-29(31)10-7-23(3)39(30)32(40)24-8-9-24)25-19-35-38(20-25)26-13-15-37(16-14-26)33(41)43-34(4,5)6;1-18-14-24(15-19(2)32-18)36-28-25(22-16-31-33(17-22)23-10-12-30-13-11-23)8-9-27-26(28)7-4-20(3)34(27)29(35)21-5-6-21;1-17-5-8-22-23(31(17)25(33)18-6-7-18)10-9-21(24(22)32)19-15-28-30(16-19)20-11-13-29(14-12-20)26(34)35-27(2,3)4;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;1-8-2-5-10-12(7-6-11(15)13(10)17)16(8)14(18)9-3-4-9;1-5-3-7(8)4-6(2)9-5/h11-12,17-20,23-24,26H,7-10,13-16H2,1-6H3;8-9,14-17,20-21,23,30H,4-7,10-13H2,1-3H3;9-10,15-18,20,32H,5-8,11-14H2,1-4H3;12-13,15H,8-11H2,1-7H3;6-9,17H,2-5H2,1H3;3-4H,1-2H3/t23-;20-;17-;;8-;/m000.0./s1
• InChIKey: MWWUDKKLSJEMOZ-NAKLRLPUSA-N
• XLogP: 25.71
• TPSA: 369.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2425.53
LogP ≤ 5	25.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The IUPAC name of 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 159694976) is 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

What is the SMILES notation for 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The canonical SMILES for 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.C[C@H]1CCc2c(ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c2O)N1C(=O)C1CC1.C[C@H]1CCc2c(ccc(Br)c2O)N1C(=O)C1CC1.Cc1cc(Br)cc(C)n1.Cc1cc(Oc2c(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc3c2CC[C@H](C)N3C(=O)C2CC2)cc(C)n1.Cc1cc(Oc2c(-c3cnn(C4CCNCC4)c3)ccc3c2CC[C@H](C)N3C(=O)C2CC2)cc(C)n1.

What is the InChIKey of 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The InChIKey is MWWUDKKLSJEMOZ-NAKLRLPUSA-N. The full InChI is InChI=1S/C34H43N5O4.C29H35N5O2.C27H36N4O4.C19H32BN3O4.C14H16BrNO2.C7H8BrN/c1-21-17-27(18-22(2)36-21)42-31-28(11-12-30-29(31)10-7-23(3)39(30)32(40)24-8-9-24)25-19-35-38(20-25)26-13-15-37(16-14-26)33(41)43-34(4,5)6;1-18-14-24(15-19(2)32-18)36-28-25(22-16-31-33(17-22)23-10-12-30-13-11-23)8-9-27-26(28)7-4-20(3)34(27)29(35)21-5-6-21;1-17-5-8-22-23(31(17)25(33)18-6-7-18)10-9-21(24(22)32)19-15-28-30(16-19)20-11-13-29(14-12-20)26(34)35-27(2,3)4;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;1-8-2-5-10-12(7-6-11(15)13(10)17)16(8)14(18)9-3-4-9;1-5-3-7(8)4-6(2)9-5/h11-12,17-20,23-24,26H,7-10,13-16H2,1-6H3;8-9,14-17,20-21,23,30H,4-7,10-13H2,1-3H3;9-10,15-18,20,32H,5-8,11-14H2,1-4H3;12-13,15H,8-11H2,1-7H3;6-9,17H,2-5H2,1H3;3-4H,1-2H3/t23-;20-;17-;;8-;/m000.0./s1.

What are the key properties of 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 2425.53 g/mol, XLogP of 25.71, 16 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2,6-dimethylpyridine;[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2S)-1-(cyclopropanecarbonyl)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl-[(2S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 159694976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).